6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C18H20ClN5O2S2 — CID 11259180

IUPAC6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2n1CCN(C)C
InChIInChI=1S/C18H20ClN5O2S2/c1-12-10-13-11-14(4-5-15(13)23(12)7-6-22(2)3)21-28(25,26)17-16(19)20-18-24(17)8-9-27-18/h4-5,8-11,21H,6-7H2,1-3H3
InChIKeyHXOLMWLXGSECNR-UHFFFAOYSA-N
MW437.98 g/mol
LogP3.67
Rot. Bonds6

About 6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 11259180) has the molecular formula C18H20ClN5O2S2 and a molecular weight of 437.98 g/mol. Its IUPAC name is 6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID11259180
Molecular FormulaC18H20ClN5O2S2
Molecular Weight437.98 g/mol
Exact Mass437.07
IUPAC Name6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2n1CCN(C)C
InChIInChI=1S/C18H20ClN5O2S2/c1-12-10-13-11-14(4-5-15(13)23(12)7-6-22(2)3)21-28(25,26)17-16(19)20-18-24(17)8-9-27-18/h4-5,8-11,21H,6-7H2,1-3H3
InChIKeyHXOLMWLXGSECNR-UHFFFAOYSA-N
XLogP3.67
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 11259180) is 6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1cc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2n1CCN(C)C.
What is the InChIKey of 6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is HXOLMWLXGSECNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2S2/c1-12-10-13-11-14(4-5-15(13)23(12)7-6-22(2)3)21-28(25,26)17-16(19)20-18-24(17)8-9-27-18/h4-5,8-11,21H,6-7H2,1-3H3.
What are the key properties of 6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 437.98 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[2-(dimethylamino)ethyl]-2-methylindol-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 11259180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).